SCHEMBL21132540

SCHEMBL21132540

Cc1cccc2c1CCC2(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
PDK2 Q15119 3/20 0.35
OPRM1 P35372 1/20 0.34
KRAS P01116 4/20 0.33
SOS1 Q07889 4/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PDE7A Q13946 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.32
HTR5A P47898 1/20 0.32
KDM1A O60341 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9770695 0.78 ALDH1A1 (0.37) KCNA5PARP1PARP10PARP11PDE7A
SCHEMBL30791259 0.76 CD44 (0.35) PDK2PARP1ALDH1A1KDM1A
SCHEMBL21132394 0.76 PDK2 (0.35) PDK2PARP10PARP11PDE7AHDAC4
SCHEMBL24597113 0.76 PDE7A (0.33) PDE7AKDM1A
SCHEMBL29428514 0.76 PDK2 (0.35) PDK2PARP10PARP11PDE7AHDAC4
SCHEMBL23356013 0.76 CD44 (0.35) PDK2PARP1ALDH1A1KDM1A
SCHEMBL22827158 0.76 PDK2 (0.40) PDK2OPRM1KRASSOS1ALDH1A1
SCHEMBL23995720 0.76 CA2 (0.36) KRASSOS1PDE7AALDH1A1HDAC4
SCHEMBL17571273 0.74 CYP11B1 (0.39) KCNA5PDK2OPRM1PARP1PARP10
SCHEMBL19654764 0.74 CYP11B1 (0.39) KCNA5PDK2OPRM1PARP1PARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
EP-4148056-A1 SOS1 INHIBITOR CONTAINING PHOSPHORUS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-15 EP disclosed
EP-3728254-B1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-02-15 EP disclosed
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 US disclosed
WO-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed
WO-2022148442-A1 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-07-14 WO disclosed
WO-2021074227-A1 2-METHYL-AZA-QUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
WO-2021000933-A1 PYRIMIDINONE COMPOUNDS AS CHYMASE INHIBITORS AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-01-07 WO disclosed
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-11-10 US disclosed
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 KCNA5 3230/4885PDK2 3428/4885OPRM1 747/4885
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT KCNA5 3239/4885PDK2 1215/4885OPRM1 4707/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 KCNA5 4571/4885PDK2 3782/4885OPRM1 572/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KCNA5 2912/4885PDK2 3532/4885OPRM1 1129/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 KCNA5 3289/4885PDK2 3438/4885OPRM1 789/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 KCNA5 2960/4885PDK2 3519/4885OPRM1 1173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.